Geometry & MOs

Info

ID:

429549

PubChem CID:

135169598

Reduced:

O2N5H33C56 (1)

Stoich.:

A2B5C33D56 (1)

Weight, g/mol:

731.232125

ΔHf, kcal/mol:

248.29

Dipole, Da:

3.6

IP(EA), eV:

 -8.09(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC4=C3OC5=CC=CC=C45)C6=CC=CC(=C6)C7=CC(=CC=C7)N8C9=CC1=CC=CC=C1C=C9C1=C8C2=C(C=C1)N=C(O2)C1=CC=CC=C1

DOS

IR

Vibrations